benzyl N-[(1S)-4-chlorosulfonyl-1-phenylbutyl]carbamate

C18H20ClNO4S — CID 11689462

IUPACbenzyl N-[(1S)-4-chlorosulfonyl-1-phenylbutyl]carbamate
SMILESO=C(N[C@@H](CCCS(=O)(=O)Cl)c1ccccc1)OCc1ccccc1
InChIInChI=1S/C18H20ClNO4S/c19-25(22,23)13-7-12-17(16-10-5-2-6-11-16)20-18(21)24-14-15-8-3-1-4-9-15/h1-6,8-11,17H,7,12-14H2,(H,20,21)/t17-/m0/s1
InChIKeyJLSCXNZRSMCTDR-KRWDZBQOSA-N
MW381.88 g/mol
LogP4.00
Rot. Bonds8

About benzyl N-[(1S)-4-chlorosulfonyl-1-phenylbutyl]carbamate

benzyl N-[(1S)-4-chlorosulfonyl-1-phenylbutyl]carbamate (PubChem CID 11689462) has the molecular formula C18H20ClNO4S and a molecular weight of 381.88 g/mol. Its IUPAC name is benzyl N-[(1S)-4-chlorosulfonyl-1-phenylbutyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(1S)-4-chlorosulfonyl-1-phenylbutyl]carbamate
PubChem CID11689462
Molecular FormulaC18H20ClNO4S
Molecular Weight381.88 g/mol
Exact Mass381.08
IUPAC Namebenzyl N-[(1S)-4-chlorosulfonyl-1-phenylbutyl]carbamate
SMILESO=C(N[C@@H](CCCS(=O)(=O)Cl)c1ccccc1)OCc1ccccc1
InChIInChI=1S/C18H20ClNO4S/c19-25(22,23)13-7-12-17(16-10-5-2-6-11-16)20-18(21)24-14-15-8-3-1-4-9-15/h1-6,8-11,17H,7,12-14H2,(H,20,21)/t17-/m0/s1
InChIKeyJLSCXNZRSMCTDR-KRWDZBQOSA-N
XLogP4.00
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.88
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-(1-phenylbutyl)carbamate
CID 101400436
benzyl N-[(1R)-2-amino-1-phenylethyl]carbamate
CID 11011061
benzyl N-[(1S)-2-amino-1-phenylethyl]carbamate
CID 44607655
hydroxy-oxo-[3-phenyl-3-(phenylmethoxycarbonylamino)propoxy]phosphanium
CID 172826308
[(2R)-2-phenyl-2-(phenylmethoxycarbonylamino)ethyl] methanesulfonate
CID 142462159
benzyl N-(4-chloro-3-oxo-1-phenylbutyl)carbamate;1,3-dichloropropan-2-one
CID 157156097
methyl (3R)-3-phenyl-3-(phenylmethoxycarbonylamino)propanoate
CID 11833969
benzyl N-[(2S)-1-chlorosulfonyl-3-phenylpropan-2-yl]carbamate
CID 11337603
5-ethylsulfonyl-2-(phenylmethoxycarbonylamino)pentanoic acid
CID 103690229
(2S)-2-phenyl-2-(phenylmethoxycarbonylamino)acetic acid
CID 819214
benzyl N-[1-(3-fluorophenyl)-3-hydroxypropyl]carbamate
CID 20758955
benzyl N-[(1S)-1-(3-fluorophenyl)-3-hydroxypropyl]carbamate
CID 59985516

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(1S)-4-chlorosulfonyl-1-phenylbutyl]carbamate?
The IUPAC name of benzyl N-[(1S)-4-chlorosulfonyl-1-phenylbutyl]carbamate (CID 11689462) is benzyl N-[(1S)-4-chlorosulfonyl-1-phenylbutyl]carbamate.
What is the SMILES notation for benzyl N-[(1S)-4-chlorosulfonyl-1-phenylbutyl]carbamate?
The canonical SMILES for benzyl N-[(1S)-4-chlorosulfonyl-1-phenylbutyl]carbamate is O=C(N[C@@H](CCCS(=O)(=O)Cl)c1ccccc1)OCc1ccccc1.
What is the InChIKey of benzyl N-[(1S)-4-chlorosulfonyl-1-phenylbutyl]carbamate?
The InChIKey is JLSCXNZRSMCTDR-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H20ClNO4S/c19-25(22,23)13-7-12-17(16-10-5-2-6-11-16)20-18(21)24-14-15-8-3-1-4-9-15/h1-6,8-11,17H,7,12-14H2,(H,20,21)/t17-/m0/s1.
What are the key properties of benzyl N-[(1S)-4-chlorosulfonyl-1-phenylbutyl]carbamate?
benzyl N-[(1S)-4-chlorosulfonyl-1-phenylbutyl]carbamate has a molecular weight of 381.88 g/mol, XLogP of 4.00, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(1S)-4-chlorosulfonyl-1-phenylbutyl]carbamate is sourced from PubChem (CID 11689462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).